TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 568.595 | Formula: C32H29FN4O5
H donors: 1 H acceptors: 3 LogP: 4.44 Rotable bonds: 10
Rule of 5 violations (Lipinski): 2
SMILES: CCC(=O)NC(c1ncc(c(=O)n1C)c1ccc(c(c1)F)Oc1ccnc2c1cc(OC)c(c2)OC)c1ccccc1
InChi: 1S/C32H29FN4O5/c1-5-29(38)36-30(19-9-7-6-8-10-19)31-35-18-22(32(39)37(31)2)20-11-12-26(23(33)15-20)42-25-13-14-34-24-17-28(41-4)27(40-3)16-21(24)25/h6-18,30H,5H2,1-4H3,(H,36,38)
InChiKey: GXVVHBLXRQHBSX-UHFFFAOYSA-N

Network

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Target Layer

Model Organisms

Species	Viewmode
Arabidopsis thaliana
Caenorhabditis elegans
Dictyostelium discoideum
Drosophila melanogaster
Escherichia coli
Homo sapiens
Mus musculus
Oryza sativa
Saccharomyces cerevisiae
Schmidtea mediterranea
Other organisms

TDR Pathogens:

Species	Viewmode
Brugia malayi
Chlamydia trachomatis
Echinococcus granulosus
Entamoeba histolytica
Echinococcus multilocularis
Giardia lamblia
Leishmania major
Loa Loa (eye worm)
Mycobacterium leprae
Mycobacterium tuberculosis
Mycobacterium ulcerans
Onchocerca volvulus
Plasmodium falciparum
Plasmodium vivax
Schistosoma mansoni
Trypanosoma brucei
Trypanosoma cruzi
Toxoplasma gondii
Treponema pallidum
Trichomonas vaginalis
Wolbachia endosymbiont of Brugia malayi

Other Pathogens:

Species	Viewmode
Babesia bovis
Candida albicans
Cryptosporidium hominis
Cryptosporidium parvum
Leishmania braziliensis
Leishmania donovani
Leishmania infantum
Leishmania mexicana
Neospora caninum
Plasmodium berghei
Plasmodium knowlesi
Plasmodium yoelii
Schistosoma japonicum
Trypanosoma brucei gambiense
Trypanosoma congolense
Theileria parva

Compound Layer

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Clustering layers

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	MET proto-oncogene, receptor tyrosine kinase	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

No druggable targets predicted by orthology data

By sequence similarity to non orthologous known druggable targets

No druggable targets predicted by sequence similarity

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Echinococcus granulosus	ATP dependent Clp protease proteolytic subunit	0.0076	0.4033	0.3668
Schistosoma mansoni	peptidase Clp (S14 family)	0.0076	0.4033	0.3836
Echinococcus multilocularis	chromobox protein 1	0.008	0.4258	0.3907
Trypanosoma cruzi	PAB1-binding protein , putative	0.0025	0.0593	0.5
Trichomonas vaginalis	chromobox protein, putative	0.0048	0.2139	0.3419
Mycobacterium leprae	PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2)	0.0076	0.4033	1
Echinococcus multilocularis	ATP dependent Clp protease proteolytic subunit	0.0076	0.4033	0.3668
Schistosoma mansoni	hypothetical protein	0.0165	1	1
Onchocerca volvulus		0.0035	0.1265	0.5197
Toxoplasma gondii	ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein	0.0076	0.4033	1
Onchocerca volvulus	Heterochromatin protein 1 homolog	0.0045	0.1912	0.8751
Schistosoma mansoni	chromobox protein	0.008	0.4258	0.4068
Echinococcus multilocularis	peptidase Clp (S14 family)	0.005	0.2271	0.1799
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0593	0.0393
Echinococcus granulosus	peptidase Clp S14 family	0.005	0.2271	0.1799
Brugia malayi	hypothetical protein	0.0025	0.0593	0.0816
Mycobacterium ulcerans	ATP-dependent Clp protease proteolytic subunit	0.0076	0.4033	0.5
Wolbachia endosymbiont of Brugia malayi	ATP-dependent Clp protease proteolytic subunit	0.0076	0.4033	0.5
Schistosoma mansoni	tar DNA-binding protein	0.0124	0.7269	0.7178
Loa Loa (eye worm)	RNA binding protein	0.0124	0.7269	1
Mycobacterium leprae	PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP)	0.005	0.2271	0.4744
Treponema pallidum	ATP-dependent Clp protease proteolytic subunit	0.0076	0.4033	1
Brugia malayi	RNA recognition motif domain containing protein	0.0124	0.7269	1
Trichomonas vaginalis	chromobox protein, putative	0.0048	0.2139	0.3419
Trypanosoma brucei	PAB1-binding protein , putative	0.0025	0.0593	0.5
Trypanosoma cruzi	PAB1-binding protein , putative	0.0025	0.0593	0.5
Brugia malayi	Probable ClpP-like protease	0.0076	0.4033	0.5549
Loa Loa (eye worm)	TAR-binding protein	0.0124	0.7269	1
Schistosoma mansoni	chromobox protein	0.008	0.4258	0.4068
Plasmodium falciparum	ATP-dependent Clp protease proteolytic subunit	0.0076	0.4033	1
Echinococcus granulosus	tar DNA binding protein	0.0124	0.7269	0.7102
Mycobacterium ulcerans	ATP-dependent Clp protease proteolytic subunit	0.0076	0.4033	0.5
Loa Loa (eye worm)	heterochromatin protein 1	0.008	0.4258	0.5668
Brugia malayi	Heterochromatin protein 1	0.008	0.4258	0.5858
Leishmania major	hypothetical protein, conserved	0.0025	0.0593	0.5
Toxoplasma gondii	hypothetical protein	0.0026	0.0681	0.0255
Trichomonas vaginalis	conserved hypothetical protein	0.0045	0.1912	0.2714
Mycobacterium tuberculosis	Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP)	0.005	0.2271	0.5
Chlamydia trachomatis	ATP-dependent Clp protease proteolytic subunit	0.0076	0.4033	0.5
Toxoplasma gondii	ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein	0.0076	0.4033	1
Echinococcus granulosus	chromobox protein 1	0.008	0.4258	0.3907
Schistosoma mansoni	tar DNA-binding protein	0.0124	0.7269	0.7178
Echinococcus multilocularis	tar DNA binding protein	0.0124	0.7269	0.7102
Loa Loa (eye worm)	hypothetical protein	0.0035	0.1265	0.1361
Plasmodium vivax	ATP-dependent Clp protease proteolytic subunit, putative	0.0076	0.4033	1
Plasmodium vivax	ATP-dependent Clp protease proteolytic subunit, putative	0.0026	0.0681	0.0255
Brugia malayi	Plexin repeat family protein	0.0021	0.032	0.044
Brugia malayi	RNA binding protein	0.0124	0.7269	1
Schistosoma mansoni	hypothetical protein	0.0165	1	1
Loa Loa (eye worm)	plexin A	0.0025	0.0576	0.0369
Trichomonas vaginalis	chromobox protein, putative	0.008	0.4258	1
Brugia malayi	chromobox protein homolog 3	0.0045	0.1912	0.2631
Echinococcus granulosus	chromobox protein 1	0.008	0.4258	0.3907
Chlamydia trachomatis	ATP-dependent Clp protease proteolytic subunit	0.0076	0.4033	0.5
Schistosoma mansoni	tar DNA-binding protein	0.0124	0.7269	0.7178
Trichomonas vaginalis	chromobox protein, putative	0.008	0.4258	1
Schistosoma mansoni	tar DNA-binding protein	0.0124	0.7269	0.7178
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0124	0.7269	1
Plasmodium falciparum	ATP-dependent Clp protease proteolytic subunit	0.0026	0.0681	0.0255
Echinococcus multilocularis	geminin	0.0165	1	1
Trichomonas vaginalis	conserved hypothetical protein	0.0045	0.1912	0.2714
Loa Loa (eye worm)	hypothetical protein	0.0045	0.1912	0.2291
Brugia malayi	TAR-binding protein	0.0124	0.7269	1
Onchocerca volvulus	Heterochromatin protein 1 homolog	0.0048	0.2139	1
Mycobacterium tuberculosis	Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2)	0.005	0.2271	0.5
Brugia malayi	plexin A	0.0025	0.0576	0.0793
Schistosoma mansoni	tar DNA-binding protein	0.0124	0.7269	0.7178
Echinococcus multilocularis	chromobox protein 1	0.008	0.4258	0.3907
Loa Loa (eye worm)	hypothetical protein	0.0076	0.4033	0.5344

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 71 nM	Inhibition of human c-MET	ChEMBL.	21641696
Ki (binding)	= 71 nM	Inhibition of cMet by HTRF assay	ChEMBL.	18763753

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?

In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.

In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

ChEMBL: CHEMBL508350

Bibliographic References

2 literature references were collected for this gene.

If you have references for this compound, please enter them in a user comment (below) or Contact us.

Detailed information for compound 1004133